[1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine

C14H19FN4S — CID 103026831

IUPAC[1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
SMILESCn1nccc1CCC(CSc1ccc(F)cc1)NN
InChIInChI=1S/C14H19FN4S/c1-19-13(8-9-17-19)5-4-12(18-16)10-20-14-6-2-11(15)3-7-14/h2-3,6-9,12,18H,4-5,10,16H2,1H3
InChIKeyAIRFWIQTZQTRNM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.12
Rot. Bonds7

About [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine

[1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine (PubChem CID 103026831) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
PubChem CID103026831
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name[1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
SMILESCn1nccc1CCC(CSc1ccc(F)cc1)NN
InChIInChI=1S/C14H19FN4S/c1-19-13(8-9-17-19)5-4-12(18-16)10-20-14-6-2-11(15)3-7-14/h2-3,6-9,12,18H,4-5,10,16H2,1H3
InChIKeyAIRFWIQTZQTRNM-UHFFFAOYSA-N
XLogP2.12
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine (CID 103026831) is [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine is Cn1nccc1CCC(CSc1ccc(F)cc1)NN.
What is the InChIKey of [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
The InChIKey is AIRFWIQTZQTRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-19-13(8-9-17-19)5-4-12(18-16)10-20-14-6-2-11(15)3-7-14/h2-3,6-9,12,18H,4-5,10,16H2,1H3.
What are the key properties of [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
[1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine has a molecular weight of 294.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfanyl-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 103026831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).